Chlorine in PDB 4w97: Structure of Ketosteroid Transcriptional Regulator KSTR2 of Mycobacterium Tuberculosis

The structure of Structure of Ketosteroid Transcriptional Regulator KSTR2 of Mycobacterium Tuberculosis, PDB code: 4w97 was solved by P.J.Stogios, E.Evdokimova, A.Savchenko, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.85 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	72.485, 90.476, 49.798, 90.00, 129.68, 90.00
R / Rfree (%)	16 / 19.9

The binding sites of Chlorine atom in the Structure of Ketosteroid Transcriptional Regulator KSTR2 of Mycobacterium Tuberculosis (pdb code 4w97). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Ketosteroid Transcriptional Regulator KSTR2 of Mycobacterium Tuberculosis, PDB code: 4w97:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Ketosteroid Transcriptional Regulator KSTR2 of Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Ketosteroid Transcriptional Regulator KSTR2 of Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:25.0 occ:0.86 O A:HOH459 3.1 24.5 1.0 NE2 A:GLN186 3.2 29.9 1.0 CB A:GLN186 3.7 21.1 1.0 CG A:GLN186 3.7 22.6 1.0 CD A:GLN186 4.0 29.9 1.0 CA A:GLN186 4.7 20.6 1.0

Chlorine binding site 2 out of 4 in the Structure of Ketosteroid Transcriptional Regulator KSTR2 of Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Ketosteroid Transcriptional Regulator KSTR2 of Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:30.9 occ:0.64 OG1 A:THR179 3.0 29.8 1.0 O A:HOH551 3.1 51.2 1.0 OE1 A:GLN181 3.5 53.7 1.0 CG2 A:THR179 3.7 34.8 1.0 CB A:THR179 3.8 31.1 1.0 CB A:GLN181 3.9 27.4 1.0 CD A:GLN181 4.0 39.4 1.0 CG A:GLN182 4.2 29.6 1.0 CG A:GLN181 4.4 30.4 1.0 N A:GLN182 4.6 24.3 1.0 NE2 A:GLN181 4.7 46.9 1.0 CD A:GLN182 4.7 32.0 1.0 O A:HOH452 4.7 56.4 1.0 O A:HOH518 4.8 28.6 1.0 OE1 A:GLN182 4.8 32.2 1.0 CA A:GLN181 5.0 24.2 1.0

Chlorine binding site 3 out of 4 in the Structure of Ketosteroid Transcriptional Regulator KSTR2 of Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Ketosteroid Transcriptional Regulator KSTR2 of Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:61.3 occ:1.00 O A:HOH683 2.9 38.7 1.0 NE2 A:GLN130 3.4 27.2 1.0 NH1 A:ARG127 3.4 25.0 1.0 O A:HOH513 3.8 26.9 1.0 CD A:GLN130 4.3 26.1 1.0 OE1 A:GLN130 4.4 25.1 1.0 CB A:PHE70 4.4 20.3 1.0 CZ A:ARG127 4.5 22.3 1.0 NH2 A:ARG127 4.7 26.2 1.0 O A:PHE70 4.7 23.1 1.0 NH1 A:ARG74 4.7 71.4 1.0 O A:HOH550 4.7 36.4 1.0 CD A:ARG74 4.9 52.1 1.0

Chlorine binding site 4 out of 4 in the Structure of Ketosteroid Transcriptional Regulator KSTR2 of Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Ketosteroid Transcriptional Regulator KSTR2 of Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:47.6 occ:0.68 O A:HOH684 2.4 38.3 0.5 N A:GLY6 2.9 54.9 1.0 O A:HOH466 3.0 51.2 1.0 O A:HOH610 3.4 50.3 1.0 O A:HOH501 3.6 70.2 1.0 CA A:GLY6 3.7 57.4 1.0 O A:HOH674 3.8 58.5 1.0 C A:ALA5 3.9 51.1 1.0 CA A:ALA5 3.9 53.2 1.0 CD1 A:TRP68 4.0 23.9 1.0 O A:HOH447 4.2 48.2 1.0 O A:HOH684 4.2 31.5 0.5 CB A:TRP68 4.3 21.2 1.0 O A:HOH687 4.4 65.9 1.0 CG A:TRP68 4.4 23.8 1.0 CB A:ALA5 4.6 56.1 1.0 C A:GLY6 4.7 61.5 1.0 N A:GLN7 4.8 58.1 1.0 O A:VAL4 4.8 51.2 1.0 O A:GLN7 4.8 69.0 1.0 NE1 A:TRP68 5.0 29.7 1.0

A.Savchenko, P.J.Stogios, E.Evdokimova, A.Savchenko, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg). N/A N/A.